SCHEMBL875286

SCHEMBL875286

O=[N+]([O-])c1ccccc1SC1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4A O75164 1/20 0.55
TDP2 O95551 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
PDE7A Q13946 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.47
CRBN Q96SW2 1/20 0.46
HPGD P15428 2/20 0.45
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5262117 0.93 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL8028472 0.92 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL31315669 0.91 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL6759187 0.91 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL8328341 0.76 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL875772 0.76 PDE7A (0.78) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL31272173 0.76 PDE7A (0.78) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL224666 0.76 PDE7A (0.60) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL3384869 0.74 PDE7A (0.58) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL1896221 0.74 PDE7A (0.58) MAPTALDH1A1MEN1KMT2AKDM4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
CN-103119026-B Preparation method and the intermediate in this preparation method of the pan-CDK inhibitor of formula (I) BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-19 CN disclosed
US-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 US disclosed
EP-2619186-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION Bayer Pharma Aktiengesellschaft (DE) 2013-07-31 EP disclosed
CN-103119026-A Process for preparing pan-cdk inhibitors of the formula (l), and intermediates in the preparation BAYER IP GMBH 2013-05-22 CN disclosed
WO-2012038411-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-29 WO disclosed
EP-2342185-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE Bayer Schering Pharma Aktiengesellschaft (DE) 2011-07-13 EP disclosed
WO-2010046034-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION CDK1, CDK9, CDK6 MAPT 2896/4885ALDH1A1 3693/4885MEN1 1101/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.